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(Z)-2-iodo-N-(2-S-[2.2]paracyclophanyl-2,3-dihydroquinazolin-4(1H)-ylidne)aniline
SpectraBase Compound ID AEzjhR9ug91
InChI InChI=1S/C30H26IN3/c31-26-9-2-4-11-28(26)33-29-24-8-1-3-10-27(24)32-30(34-29)25-19-22-13-12-20-6-5-7-21(18-20)14-16-23(25)17-15-22/h1-11,15,17-19,30,32H,12-14,16H2,(H,33,34)/t30-/m0/s1
InChIKey KZXLWKZYPDXHMZ-PMERELPUSA-N
Mol Weight 555.46 g/mol
Molecular Formula C30H26IN3
Exact Mass 555.117143 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C8r7ucsShlP
Name (Z)-2-iodo-N-(2-S-[2.2]paracyclophanyl-2,3-dihydroquinazolin-4(1H)-ylidne)aniline
Appearance Brownish solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H26IN3
InChI InChI=1S/C30H26IN3/c31-26-9-2-4-11-28(26)33-29-24-8-1-3-10-27(24)32-30(34-29)25-19-22-13-12-20-6-5-7-21(18-20)14-16-23(25)17-15-22/h1-11,15,17-19,30,32H,12-14,16H2,(H,33,34)/t30-/m0/s1
InChIKey KZXLWKZYPDXHMZ-PMERELPUSA-N
Instrument Name Finnigan MAT 8430
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0010.a15
Molecular Weight 555.463 g/mol
SMILES N1[C@](c2c3CCc4cccc(CCc(cc3)c2)c4)(N\C(c2c1cccc2)=N/c1ccccc1I)[H]
SPLASH splash10-0fka-0217950000-7ee9ca171f354dc850fa
Source of Spectrum ARK-2009-155-3e
Wiley ID 1869597